948595-00-4

Name (R)-bis(3,5-bis(trifluoroMethyl)phenyl)(pyrrolidin-2-yl)Methanol
CAS 948595-00-4
Molecular Formula C21H15F12NO
MDL Number MFCD10566975
Molecular Weight 525.33
MOL File 948595-00-4.mol

Chemical Properties

Melting point  113-117°C
Boiling point  391.8±42.0 °C(Predicted)
density  1.465±0.06 g/cm3(Predicted)
storage temp.  2-8°C
pka 12.26±0.29(Predicted)
Appearance Off-white to yellow Solid
InChI InChI=1/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/s3
InChIKey ITXPGQOGEYWAKW-MRXNPFEDSA-N
SMILES C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)([C@H]1CCCN1)O |&1:29,r|

Safety Data

WGK Germany  3

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